CID 146598741

2434843-62-4

Structural Information

Molecular Formula
C11H24N2O3
SMILES
CC(C)(C)OC(=O)N(C)CCCOCCN
InChI
InChI=1S/C11H24N2O3/c1-11(2,3)16-10(14)13(4)7-5-8-15-9-6-12/h5-9,12H2,1-4H3
InChIKey
HJNQSXHWAYUCTI-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-aminoethoxy)propyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

232.1787 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.185976 158.0
[M+Na]+ 255.167918 162.2
[M-H]- 231.171424 158.7
[M+NH4]+ 250.212523 176.0
[M+K]+ 271.141858 163.5
[M+H-H2O]+ 215.175960 151.9
[M+HCOO]- 277.176901 180.5
[M+CH3COO]- 291.192551 199.1
[M+Na-2H]- 253.153366 160.6
[M]+ 232.17815142 162.0
[M]- 232.17924858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe